3-chloro-2-phenylpyrido[2,3-b]pyrazine

C13H8ClN3 — CID 6625051

IUPAC3-chloro-2-phenylpyrido[2,3-b]pyrazine
SMILESClc1nc2ncccc2nc1-c1ccccc1
InChIInChI=1S/C13H8ClN3/c14-12-11(9-5-2-1-3-6-9)16-10-7-4-8-15-13(10)17-12/h1-8H
InChIKeyTTYALFHQRMFZMF-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 3-chloro-2-phenylpyrido[2,3-b]pyrazine

3-chloro-2-phenylpyrido[2,3-b]pyrazine (PubChem CID 6625051) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-2-phenylpyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-chloro-2-phenylpyrido[2,3-b]pyrazine
PubChem CID6625051
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name3-chloro-2-phenylpyrido[2,3-b]pyrazine
SMILESClc1nc2ncccc2nc1-c1ccccc1
InChIInChI=1S/C13H8ClN3/c14-12-11(9-5-2-1-3-6-9)16-10-7-4-8-15-13(10)17-12/h1-8H
InChIKeyTTYALFHQRMFZMF-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenylpyrido[2,3-b]pyrazine?
The IUPAC name of 3-chloro-2-phenylpyrido[2,3-b]pyrazine (CID 6625051) is 3-chloro-2-phenylpyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-chloro-2-phenylpyrido[2,3-b]pyrazine?
The canonical SMILES for 3-chloro-2-phenylpyrido[2,3-b]pyrazine is Clc1nc2ncccc2nc1-c1ccccc1.
What is the InChIKey of 3-chloro-2-phenylpyrido[2,3-b]pyrazine?
The InChIKey is TTYALFHQRMFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-12-11(9-5-2-1-3-6-9)16-10-7-4-8-15-13(10)17-12/h1-8H.
What are the key properties of 3-chloro-2-phenylpyrido[2,3-b]pyrazine?
3-chloro-2-phenylpyrido[2,3-b]pyrazine has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenylpyrido[2,3-b]pyrazine is sourced from PubChem (CID 6625051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).